SCHEMBL6204467

SCHEMBL6204467

COC([O])c1cccc(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.51
▸ ENPEP Q07075 1/20 0.51
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PTGS1 P23219 3/20 0.46
▸ PTGS2 P35354 3/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ AKR1C3 P42330 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CXCR1 P25024 2/20 0.44
▸ CXCR2 P25025 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ RECQL P46063 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28755744 0.84 PARP1 (0.54) HSD17B10PTGS1PTGS2MAPTSMN1; SMN2
SCHEMBL10416036 0.84 ANPEP (0.53) ANPEPENPEPHPGDHSD17B10CYP1A2
SCHEMBL6204470 0.82 ANPEP (0.51) ANPEPENPEPHPGDHSD17B10CYP1A2
SCHEMBL15020131 0.82 ANPEP (0.51) ANPEPENPEPHPGDHSD17B10CYP1A2
SCHEMBL30354039 0.81 ANPEP (0.58) ANPEPENPEPHPGDHSD17B10CYP1A2
SCHEMBL371525 0.81 ANPEP (0.58) ANPEPENPEPHPGDHSD17B10CYP1A2
SCHEMBL10653124 0.81 ANPEP (0.50) ANPEPENPEPHPGDHSD17B10CYP1A2
Isophthalic Acid SCHEMBL25190289 0.79 ANPEP (0.56) ANPEPENPEPHPGDHSD17B10CYP1A2
SCHEMBL14843614 0.79 ANPEP (0.56) ANPEPENPEPHPGDHSD17B10CYP1A2
SCHEMBL27485681 0.78 ANPEP (0.51) ANPEPENPEPHPGDHSD17B10CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1668601-A N-substituted tricyclic 3-aminopyrazoles as PDFG receptor inhibitors JANSSEN PHARMACEUTICA NV (BE) 2005-09-14 — — CN disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 — — EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 — — WO disclosed
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